1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid

C10H14N2O2 — CID 130543784

IUPAC1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid
SMILESCc1cn(CC2CCC2)nc1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7-5-12(6-8-3-2-4-8)11-9(7)10(13)14/h5,8H,2-4,6H2,1H3,(H,13,14)
InChIKeyZOTROYSNSAXDPQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.69
Rot. Bonds3

About 1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid

1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid (PubChem CID 130543784) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid
PubChem CID130543784
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid
SMILESCc1cn(CC2CCC2)nc1C(=O)O
InChIInChI=1S/C10H14N2O2/c1-7-5-12(6-8-3-2-4-8)11-9(7)10(13)14/h5,8H,2-4,6H2,1H3,(H,13,14)
InChIKeyZOTROYSNSAXDPQ-UHFFFAOYSA-N
XLogP1.69
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclohexylmethyl)-4-nitropyrazole-3-carboxylic acid
CID 107345737
1-(cyclobutylmethyl)pyrazole-3-carboxylic acid
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4-amino-1-[(3-methylcyclobutyl)methyl]pyrazole-3-carboxylic acid
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1-(cyclobutylmethyl)-5-methylpyrazole-3-carboxylic acid
CID 90351294
4-amino-1-[(1-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
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4-[(3,4-dimethylpyrazol-1-yl)methyl]-1-ethylsulfonylpiperidine
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4-[1-(cyclohexylmethyl)pyrazol-4-yl]-2-fluoro-6-methylbenzoic acid
CID 171365282
4-(cyclobutylamino)-1-ethylpyrazole-3-carboxylic acid
CID 167919630
1-(cyclobutylmethyl)-5-(methoxymethyl)triazole-4-carboxylic acid
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1-[1-(cyclobutylmethyl)pyrazol-4-yl]propan-1-one
CID 65462054
1-(cyclopentylmethyl)-3-methylpyrazole-4-sulfonyl chloride
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4-amino-1-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyrazole-3-carboxylic acid
CID 165480398

Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid?
The IUPAC name of 1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid (CID 130543784) is 1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid?
The canonical SMILES for 1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid is Cc1cn(CC2CCC2)nc1C(=O)O.
What is the InChIKey of 1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid?
The InChIKey is ZOTROYSNSAXDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-7-5-12(6-8-3-2-4-8)11-9(7)10(13)14/h5,8H,2-4,6H2,1H3,(H,13,14).
What are the key properties of 1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid?
1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid has a molecular weight of 194.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-4-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 130543784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).